USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 663 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 SER OG : rot 106:sc= 1.82 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 163:sc= 1 (180deg=0) USER MOD Set 2.1: A 50 ASN : amide:sc= 0.0792 K(o=0.94,f=-3.5!) USER MOD Set 2.2: A 58 THR OG1 : rot 113:sc= 0.859 USER MOD Set 3.1: A 21 LYS NZ :NH3+ -174:sc= 1.93 (180deg=0.63) USER MOD Set 3.2: A 25 THR OG1 : rot 81:sc= 1.79 USER MOD Set 3.3: A 31 TYR OH : rot 0:sc= 0.826 USER MOD Set 4.1: A 27 ASN : amide:sc= 0.998 K(o=2.2,f=-4.1!) USER MOD Set 4.2: A 76 LYS NZ :NH3+ 166:sc= 1.2 (180deg=-0.037) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.38 (180deg=1.15) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 104:sc= 0.473 USER MOD Single : A 10 THR OG1 : rot 158:sc= -1.39! USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -105:sc= 1.24 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 38 HIS : no HE2:sc= 0.756 K(o=0.76,f=-2.4!) USER MOD Single : A 39 ASN : amide:sc= -2.39! K(o=-2.4!,f=0.04) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0693) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.38 K(o=-1.4,f=-4.5!) USER MOD Single : A 71 SER OG : rot -136:sc= 1.28 USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.015) USER MOD Single : A 87 HIS : no HD1:sc= -1.09 K(o=-1.1,f=0.31) USER MOD Single : A 88 HIS : no HE2:sc= 0.746 K(o=0.75,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.628 9.268 15.096 1.00 0.00 N ATOM 2 CA MET A 1 4.331 9.177 14.446 1.00 0.00 C ATOM 3 C MET A 1 4.504 8.755 13.013 1.00 0.00 C ATOM 4 O MET A 1 5.636 8.716 12.525 1.00 0.00 O ATOM 5 CB MET A 1 3.546 10.487 14.566 1.00 0.00 C ATOM 6 CG MET A 1 2.942 10.733 15.952 1.00 0.00 C ATOM 7 SD MET A 1 4.166 10.811 17.284 1.00 0.00 S ATOM 8 CE MET A 1 3.088 11.020 18.702 1.00 0.00 C ATOM 0 H1 MET A 1 5.514 9.688 16.040 1.00 0.00 H new ATOM 0 H2 MET A 1 6.038 8.317 15.188 1.00 0.00 H new ATOM 0 H3 MET A 1 6.261 9.864 14.526 1.00 0.00 H new ATOM 0 HA MET A 1 3.740 8.416 14.956 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.207 11.317 14.318 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.744 10.486 13.828 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.381 11.668 15.932 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.229 9.938 16.173 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.689 11.085 19.609 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.506 11.934 18.585 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.413 10.167 18.775 1.00 0.00 H new ATOM 20 N VAL A 2 3.385 8.439 12.333 1.00 0.00 N ATOM 21 CA VAL A 2 3.373 7.898 10.964 1.00 0.00 C ATOM 22 C VAL A 2 3.963 6.468 10.958 1.00 0.00 C ATOM 23 O VAL A 2 3.224 5.481 10.775 1.00 0.00 O ATOM 24 CB VAL A 2 4.104 8.819 9.926 1.00 0.00 C ATOM 25 CG1 VAL A 2 3.991 8.251 8.518 1.00 0.00 C ATOM 26 CG2 VAL A 2 3.539 10.235 9.966 1.00 0.00 C ATOM 0 H VAL A 2 2.451 8.555 12.727 1.00 0.00 H new ATOM 0 HA VAL A 2 2.332 7.861 10.642 1.00 0.00 H new ATOM 0 HB VAL A 2 5.158 8.856 10.200 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.506 8.909 7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.446 7.261 8.488 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.940 8.176 8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.061 10.856 9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.476 10.210 9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.675 10.653 10.963 1.00 0.00 H new ATOM 36 N THR A 3 5.279 6.378 11.173 1.00 0.00 N ATOM 37 CA THR A 3 6.033 5.137 11.320 1.00 0.00 C ATOM 38 C THR A 3 6.197 4.341 10.004 1.00 0.00 C ATOM 39 O THR A 3 7.310 3.922 9.659 1.00 0.00 O ATOM 40 CB THR A 3 5.448 4.263 12.463 1.00 0.00 C ATOM 41 OG1 THR A 3 5.359 5.073 13.657 1.00 0.00 O ATOM 42 CG2 THR A 3 6.342 3.066 12.752 1.00 0.00 C ATOM 0 H THR A 3 5.870 7.206 11.252 1.00 0.00 H new ATOM 0 HA THR A 3 7.046 5.429 11.597 1.00 0.00 H new ATOM 0 HB THR A 3 4.467 3.897 12.159 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.989 4.537 14.389 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.907 2.473 13.556 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.430 2.453 11.855 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.331 3.414 13.052 1.00 0.00 H new ATOM 50 N ALA A 4 5.129 4.152 9.272 1.00 0.00 N ATOM 51 CA ALA A 4 5.170 3.392 8.042 1.00 0.00 C ATOM 52 C ALA A 4 5.239 4.318 6.840 1.00 0.00 C ATOM 53 O ALA A 4 4.707 5.429 6.866 1.00 0.00 O ATOM 54 CB ALA A 4 3.962 2.478 7.943 1.00 0.00 C ATOM 0 H ALA A 4 4.207 4.518 9.508 1.00 0.00 H new ATOM 0 HA ALA A 4 6.069 2.776 8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.008 1.913 7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.958 1.787 8.786 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.051 3.076 7.960 1.00 0.00 H new ATOM 60 N ALA A 5 5.927 3.880 5.814 1.00 0.00 N ATOM 61 CA ALA A 5 6.041 4.635 4.587 1.00 0.00 C ATOM 62 C ALA A 5 4.924 4.232 3.631 1.00 0.00 C ATOM 63 O ALA A 5 4.542 4.991 2.729 1.00 0.00 O ATOM 64 CB ALA A 5 7.411 4.411 3.956 1.00 0.00 C ATOM 0 H ALA A 5 6.425 2.990 5.805 1.00 0.00 H new ATOM 0 HA ALA A 5 5.942 5.698 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.484 4.985 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.188 4.736 4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.541 3.351 3.736 1.00 0.00 H new ATOM 70 N LEU A 6 4.401 3.037 3.846 1.00 0.00 N ATOM 71 CA LEU A 6 3.298 2.513 3.059 1.00 0.00 C ATOM 72 C LEU A 6 1.990 2.813 3.726 1.00 0.00 C ATOM 73 O LEU A 6 1.812 2.548 4.915 1.00 0.00 O ATOM 74 CB LEU A 6 3.346 0.987 2.892 1.00 0.00 C ATOM 75 CG LEU A 6 4.355 0.361 1.944 1.00 0.00 C ATOM 76 CD1 LEU A 6 5.774 0.556 2.413 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.046 -1.106 1.802 1.00 0.00 C ATOM 0 H LEU A 6 4.730 2.401 4.573 1.00 0.00 H new ATOM 0 HA LEU A 6 3.389 2.993 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.518 0.557 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.355 0.664 2.572 1.00 0.00 H new ATOM 0 HG LEU A 6 4.272 0.858 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.459 0.092 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.991 1.622 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.900 0.096 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.765 -1.565 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.110 -1.587 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.040 -1.229 1.402 1.00 0.00 H new ATOM 89 N THR A 7 1.098 3.357 2.993 1.00 0.00 N ATOM 90 CA THR A 7 -0.237 3.536 3.440 1.00 0.00 C ATOM 91 C THR A 7 -1.121 2.731 2.495 1.00 0.00 C ATOM 92 O THR A 7 -1.253 3.071 1.322 1.00 0.00 O ATOM 93 CB THR A 7 -0.595 5.029 3.422 1.00 0.00 C ATOM 94 OG1 THR A 7 0.427 5.731 4.162 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.938 5.277 4.088 1.00 0.00 C ATOM 0 H THR A 7 1.272 3.698 2.048 1.00 0.00 H new ATOM 0 HA THR A 7 -0.375 3.192 4.465 1.00 0.00 H new ATOM 0 HB THR A 7 -0.656 5.375 2.390 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.227 6.690 4.167 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.166 6.342 4.061 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.715 4.726 3.557 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.898 4.941 5.124 1.00 0.00 H new ATOM 103 N ILE A 8 -1.653 1.642 2.985 1.00 0.00 N ATOM 104 CA ILE A 8 -2.410 0.727 2.159 1.00 0.00 C ATOM 105 C ILE A 8 -3.870 0.809 2.498 1.00 0.00 C ATOM 106 O ILE A 8 -4.249 0.826 3.659 1.00 0.00 O ATOM 107 CB ILE A 8 -1.917 -0.744 2.318 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.461 -0.865 1.866 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.806 -1.721 1.539 1.00 0.00 C ATOM 110 CD1 ILE A 8 0.088 -2.264 1.947 1.00 0.00 C ATOM 0 H ILE A 8 -1.577 1.362 3.963 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.256 1.023 1.121 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.983 -1.009 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.379 -0.512 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.155 -0.207 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.434 -2.737 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.829 -1.658 1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.788 -1.464 0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.125 -2.268 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.040 -2.614 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.503 -2.924 1.312 1.00 0.00 H new ATOM 122 N TYR A 9 -4.671 0.877 1.501 1.00 0.00 N ATOM 123 CA TYR A 9 -6.074 0.948 1.681 1.00 0.00 C ATOM 124 C TYR A 9 -6.634 -0.466 1.805 1.00 0.00 C ATOM 125 O TYR A 9 -6.372 -1.318 0.965 1.00 0.00 O ATOM 126 CB TYR A 9 -6.701 1.755 0.536 1.00 0.00 C ATOM 127 CG TYR A 9 -6.165 3.185 0.448 1.00 0.00 C ATOM 128 CD1 TYR A 9 -5.013 3.474 -0.275 1.00 0.00 C ATOM 129 CD2 TYR A 9 -6.792 4.230 1.107 1.00 0.00 C ATOM 130 CE1 TYR A 9 -4.504 4.750 -0.339 1.00 0.00 C ATOM 131 CE2 TYR A 9 -6.289 5.520 1.043 1.00 0.00 C ATOM 132 CZ TYR A 9 -5.142 5.769 0.317 1.00 0.00 C ATOM 133 OH TYR A 9 -4.628 7.038 0.258 1.00 0.00 O ATOM 0 H TYR A 9 -4.369 0.885 0.527 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.324 1.473 2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.512 1.243 -0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.782 1.786 0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.506 2.677 -0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.687 4.036 1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.605 4.948 -0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.792 6.325 1.558 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.165 7.580 -0.356 1.00 0.00 H new ATOM 143 N THR A 10 -7.327 -0.735 2.896 1.00 0.00 N ATOM 144 CA THR A 10 -7.874 -2.051 3.150 1.00 0.00 C ATOM 145 C THR A 10 -9.283 -1.958 3.730 1.00 0.00 C ATOM 146 O THR A 10 -9.849 -0.865 3.897 1.00 0.00 O ATOM 147 CB THR A 10 -7.000 -2.827 4.164 1.00 0.00 C ATOM 148 OG1 THR A 10 -6.789 -2.014 5.314 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.660 -3.250 3.575 1.00 0.00 C ATOM 0 H THR A 10 -7.525 -0.051 3.626 1.00 0.00 H new ATOM 0 HA THR A 10 -7.896 -2.572 2.193 1.00 0.00 H new ATOM 0 HB THR A 10 -7.532 -3.740 4.433 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.564 -2.583 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.086 -3.791 4.328 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.829 -3.897 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.105 -2.366 3.261 1.00 0.00 H new ATOM 157 N THR A 11 -9.841 -3.100 4.009 1.00 0.00 N ATOM 158 CA THR A 11 -11.100 -3.243 4.665 1.00 0.00 C ATOM 159 C THR A 11 -10.896 -4.396 5.621 1.00 0.00 C ATOM 160 O THR A 11 -9.987 -5.209 5.388 1.00 0.00 O ATOM 161 CB THR A 11 -12.216 -3.600 3.643 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.165 -2.663 2.554 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.604 -3.519 4.285 1.00 0.00 C ATOM 0 H THR A 11 -9.409 -3.993 3.774 1.00 0.00 H new ATOM 0 HA THR A 11 -11.408 -2.324 5.164 1.00 0.00 H new ATOM 0 HB THR A 11 -12.049 -4.619 3.295 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.864 -2.880 1.903 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.363 -3.774 3.545 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.661 -4.219 5.119 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.778 -2.506 4.649 1.00 0.00 H new ATOM 171 N SER A 12 -11.642 -4.429 6.703 1.00 0.00 N ATOM 172 CA SER A 12 -11.596 -5.523 7.649 1.00 0.00 C ATOM 173 C SER A 12 -11.728 -6.881 6.930 1.00 0.00 C ATOM 174 O SER A 12 -10.989 -7.833 7.221 1.00 0.00 O ATOM 175 CB SER A 12 -12.681 -5.311 8.697 1.00 0.00 C ATOM 176 OG SER A 12 -13.925 -4.986 8.074 1.00 0.00 O ATOM 0 H SER A 12 -12.302 -3.693 6.953 1.00 0.00 H new ATOM 0 HA SER A 12 -10.629 -5.540 8.152 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.794 -6.213 9.299 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.387 -4.510 9.375 1.00 0.00 H new ATOM 0 HG SER A 12 -14.107 -4.030 8.187 1.00 0.00 H new ATOM 182 N TRP A 13 -12.632 -6.951 5.971 1.00 0.00 N ATOM 183 CA TRP A 13 -12.756 -8.121 5.150 1.00 0.00 C ATOM 184 C TRP A 13 -12.316 -7.802 3.719 1.00 0.00 C ATOM 185 O TRP A 13 -12.695 -6.753 3.156 1.00 0.00 O ATOM 186 CB TRP A 13 -14.182 -8.706 5.191 1.00 0.00 C ATOM 187 CG TRP A 13 -15.229 -7.834 4.596 1.00 0.00 C ATOM 188 CD1 TRP A 13 -15.558 -7.763 3.286 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.093 -6.926 5.277 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.526 -6.848 3.100 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.890 -6.320 4.298 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.264 -6.556 6.608 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -17.846 -5.368 4.599 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -17.219 -5.609 6.908 1.00 0.00 C ATOM 195 CH2 TRP A 13 -17.995 -5.027 5.907 1.00 0.00 C ATOM 0 H TRP A 13 -13.289 -6.204 5.748 1.00 0.00 H new ATOM 0 HA TRP A 13 -12.098 -8.891 5.552 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -14.183 -9.662 4.667 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -14.446 -8.911 6.228 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -15.108 -8.355 2.503 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -16.926 -6.590 2.198 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.662 -7.001 7.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -18.450 -4.914 3.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -17.369 -5.313 7.936 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -18.733 -4.286 6.177 1.00 0.00 H new ATOM 206 N CYS A 14 -11.451 -8.619 3.180 1.00 0.00 N ATOM 207 CA CYS A 14 -11.046 -8.500 1.803 1.00 0.00 C ATOM 208 C CYS A 14 -10.367 -9.787 1.375 1.00 0.00 C ATOM 209 O CYS A 14 -9.650 -10.416 2.168 1.00 0.00 O ATOM 210 CB CYS A 14 -10.110 -7.301 1.579 1.00 0.00 C ATOM 211 SG CYS A 14 -9.802 -6.941 -0.194 1.00 0.00 S ATOM 0 H CYS A 14 -11.006 -9.387 3.683 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.935 -8.326 1.197 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.542 -6.419 2.052 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.158 -7.495 2.074 1.00 0.00 H new ATOM 216 N GLY A 15 -10.603 -10.201 0.160 1.00 0.00 N ATOM 217 CA GLY A 15 -9.977 -11.384 -0.341 1.00 0.00 C ATOM 218 C GLY A 15 -8.743 -11.056 -1.139 1.00 0.00 C ATOM 219 O GLY A 15 -7.660 -11.594 -0.887 1.00 0.00 O ATOM 0 H GLY A 15 -11.226 -9.733 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.712 -12.037 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.681 -11.933 -0.966 1.00 0.00 H new ATOM 223 N TYR A 16 -8.885 -10.129 -2.052 1.00 0.00 N ATOM 224 CA TYR A 16 -7.822 -9.762 -2.959 1.00 0.00 C ATOM 225 C TYR A 16 -6.730 -8.952 -2.249 1.00 0.00 C ATOM 226 O TYR A 16 -5.546 -9.091 -2.562 1.00 0.00 O ATOM 227 CB TYR A 16 -8.397 -9.000 -4.165 1.00 0.00 C ATOM 228 CG TYR A 16 -7.375 -8.659 -5.224 1.00 0.00 C ATOM 229 CD1 TYR A 16 -6.804 -9.652 -6.002 1.00 0.00 C ATOM 230 CD2 TYR A 16 -6.971 -7.353 -5.432 1.00 0.00 C ATOM 231 CE1 TYR A 16 -5.860 -9.353 -6.957 1.00 0.00 C ATOM 232 CE2 TYR A 16 -6.025 -7.045 -6.385 1.00 0.00 C ATOM 233 CZ TYR A 16 -5.473 -8.046 -7.144 1.00 0.00 C ATOM 234 OH TYR A 16 -4.520 -7.750 -8.095 1.00 0.00 O ATOM 0 H TYR A 16 -9.748 -9.602 -2.190 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.350 -10.675 -3.323 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.187 -9.600 -4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.860 -8.078 -3.812 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.105 -10.679 -5.857 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.404 -6.562 -4.838 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.425 -10.139 -7.556 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.719 -6.020 -6.534 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.357 -6.784 -8.105 1.00 0.00 H new ATOM 244 N CYS A 17 -7.123 -8.139 -1.279 1.00 0.00 N ATOM 245 CA CYS A 17 -6.175 -7.310 -0.527 1.00 0.00 C ATOM 246 C CYS A 17 -5.189 -8.194 0.234 1.00 0.00 C ATOM 247 O CYS A 17 -3.991 -7.906 0.301 1.00 0.00 O ATOM 248 CB CYS A 17 -6.914 -6.432 0.485 1.00 0.00 C ATOM 249 SG CYS A 17 -8.335 -5.546 -0.201 1.00 0.00 S ATOM 0 H CYS A 17 -8.095 -8.031 -0.989 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.642 -6.681 -1.240 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.254 -7.056 1.311 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.214 -5.707 0.900 1.00 0.00 H new ATOM 254 N LEU A 18 -5.701 -9.317 0.740 1.00 0.00 N ATOM 255 CA LEU A 18 -4.941 -10.220 1.578 1.00 0.00 C ATOM 256 C LEU A 18 -3.786 -10.875 0.810 1.00 0.00 C ATOM 257 O LEU A 18 -2.750 -11.205 1.398 1.00 0.00 O ATOM 258 CB LEU A 18 -5.866 -11.267 2.172 1.00 0.00 C ATOM 259 CG LEU A 18 -5.267 -12.114 3.287 1.00 0.00 C ATOM 260 CD1 LEU A 18 -4.819 -11.239 4.455 1.00 0.00 C ATOM 261 CD2 LEU A 18 -6.276 -13.105 3.755 1.00 0.00 C ATOM 0 H LEU A 18 -6.661 -9.619 0.574 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.493 -9.641 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.754 -10.766 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.196 -11.931 1.373 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.393 -12.636 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.395 -11.867 5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.066 -10.530 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.676 -10.694 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.848 -13.711 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.155 -12.580 4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.565 -13.750 2.925 1.00 0.00 H new ATOM 273 N ARG A 19 -3.965 -11.013 -0.505 1.00 0.00 N ATOM 274 CA ARG A 19 -2.952 -11.576 -1.418 1.00 0.00 C ATOM 275 C ARG A 19 -1.630 -10.817 -1.272 1.00 0.00 C ATOM 276 O ARG A 19 -0.579 -11.402 -1.005 1.00 0.00 O ATOM 277 CB ARG A 19 -3.454 -11.438 -2.868 1.00 0.00 C ATOM 278 CG ARG A 19 -2.466 -11.861 -3.956 1.00 0.00 C ATOM 279 CD ARG A 19 -2.988 -11.457 -5.330 1.00 0.00 C ATOM 280 NE ARG A 19 -2.059 -11.793 -6.423 1.00 0.00 N ATOM 281 CZ ARG A 19 -1.903 -11.072 -7.558 1.00 0.00 C ATOM 282 NH1 ARG A 19 -2.534 -9.919 -7.722 1.00 0.00 N ATOM 283 NH2 ARG A 19 -1.097 -11.504 -8.512 1.00 0.00 N ATOM 0 H ARG A 19 -4.825 -10.736 -0.978 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.790 -12.625 -1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.362 -12.032 -2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.731 -10.398 -3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.496 -11.397 -3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.314 -12.940 -3.920 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.943 -11.950 -5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.177 -10.384 -5.339 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.490 -12.633 -6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.147 -9.564 -6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.407 -9.386 -8.582 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.591 -12.382 -8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.981 -10.960 -9.367 1.00 0.00 H new ATOM 297 N LEU A 20 -1.714 -9.515 -1.404 1.00 0.00 N ATOM 298 CA LEU A 20 -0.543 -8.663 -1.339 1.00 0.00 C ATOM 299 C LEU A 20 -0.147 -8.424 0.117 1.00 0.00 C ATOM 300 O LEU A 20 1.032 -8.416 0.460 1.00 0.00 O ATOM 301 CB LEU A 20 -0.844 -7.328 -2.040 1.00 0.00 C ATOM 302 CG LEU A 20 0.233 -6.218 -2.003 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.412 -6.487 -2.943 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.396 -4.873 -2.292 1.00 0.00 C ATOM 0 H LEU A 20 -2.589 -9.015 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 20 0.290 -9.152 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.062 -7.544 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.755 -6.921 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 20 0.649 -6.213 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.130 -5.671 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.895 -7.423 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.050 -6.559 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.371 -4.099 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.856 -4.891 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.156 -4.658 -1.541 1.00 0.00 H new ATOM 316 N LYS A 21 -1.152 -8.281 0.961 1.00 0.00 N ATOM 317 CA LYS A 21 -0.984 -7.962 2.375 1.00 0.00 C ATOM 318 C LYS A 21 -0.116 -9.020 3.082 1.00 0.00 C ATOM 319 O LYS A 21 0.800 -8.688 3.850 1.00 0.00 O ATOM 320 CB LYS A 21 -2.365 -7.893 3.022 1.00 0.00 C ATOM 321 CG LYS A 21 -2.426 -7.131 4.321 1.00 0.00 C ATOM 322 CD LYS A 21 -3.832 -7.135 4.887 1.00 0.00 C ATOM 323 CE LYS A 21 -3.979 -6.168 6.048 1.00 0.00 C ATOM 324 NZ LYS A 21 -3.069 -6.451 7.176 1.00 0.00 N ATOM 0 H LYS A 21 -2.128 -8.384 0.682 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.475 -7.003 2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.057 -7.433 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.718 -8.909 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.739 -7.576 5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.098 -6.104 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.540 -6.869 4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.087 -8.142 5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.796 -5.155 5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.008 -6.198 6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.293 -5.818 7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.186 -7.439 7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.085 -6.295 6.876 1.00 0.00 H new ATOM 338 N THR A 22 -0.378 -10.280 2.786 1.00 0.00 N ATOM 339 CA THR A 22 0.345 -11.373 3.407 1.00 0.00 C ATOM 340 C THR A 22 1.786 -11.447 2.854 1.00 0.00 C ATOM 341 O THR A 22 2.729 -11.780 3.583 1.00 0.00 O ATOM 342 CB THR A 22 -0.392 -12.719 3.175 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.791 -12.561 3.509 1.00 0.00 O ATOM 344 CG2 THR A 22 0.190 -13.813 4.059 1.00 0.00 C ATOM 0 H THR A 22 -1.090 -10.572 2.116 1.00 0.00 H new ATOM 0 HA THR A 22 0.392 -11.188 4.480 1.00 0.00 H new ATOM 0 HB THR A 22 -0.273 -13.000 2.129 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.241 -12.055 2.801 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.342 -14.747 3.879 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.246 -13.946 3.825 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.083 -13.530 5.106 1.00 0.00 H new ATOM 352 N ALA A 23 1.947 -11.069 1.586 1.00 0.00 N ATOM 353 CA ALA A 23 3.245 -11.085 0.921 1.00 0.00 C ATOM 354 C ALA A 23 4.166 -10.072 1.559 1.00 0.00 C ATOM 355 O ALA A 23 5.314 -10.368 1.882 1.00 0.00 O ATOM 356 CB ALA A 23 3.088 -10.759 -0.557 1.00 0.00 C ATOM 0 H ALA A 23 1.182 -10.744 0.994 1.00 0.00 H new ATOM 0 HA ALA A 23 3.672 -12.083 1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.066 -10.775 -1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.440 -11.499 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.646 -9.769 -0.666 1.00 0.00 H new ATOM 362 N LEU A 24 3.634 -8.885 1.771 1.00 0.00 N ATOM 363 CA LEU A 24 4.387 -7.791 2.351 1.00 0.00 C ATOM 364 C LEU A 24 4.813 -8.128 3.766 1.00 0.00 C ATOM 365 O LEU A 24 5.975 -7.952 4.130 1.00 0.00 O ATOM 366 CB LEU A 24 3.564 -6.504 2.322 1.00 0.00 C ATOM 367 CG LEU A 24 3.058 -6.067 0.943 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.324 -4.758 1.039 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.194 -5.972 -0.061 1.00 0.00 C ATOM 0 H LEU A 24 2.667 -8.652 1.546 1.00 0.00 H new ATOM 0 HA LEU A 24 5.287 -7.635 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.704 -6.630 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.169 -5.699 2.738 1.00 0.00 H new ATOM 0 HG LEU A 24 2.364 -6.829 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.973 -4.465 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.471 -4.867 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.995 -3.992 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.800 -5.660 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.926 -5.242 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.673 -6.946 -0.162 1.00 0.00 H new ATOM 381 N THR A 25 3.894 -8.678 4.531 1.00 0.00 N ATOM 382 CA THR A 25 4.161 -9.069 5.902 1.00 0.00 C ATOM 383 C THR A 25 5.275 -10.153 5.957 1.00 0.00 C ATOM 384 O THR A 25 6.162 -10.122 6.828 1.00 0.00 O ATOM 385 CB THR A 25 2.868 -9.592 6.563 1.00 0.00 C ATOM 386 OG1 THR A 25 1.822 -8.610 6.399 1.00 0.00 O ATOM 387 CG2 THR A 25 3.084 -9.838 8.049 1.00 0.00 C ATOM 0 H THR A 25 2.941 -8.867 4.222 1.00 0.00 H new ATOM 0 HA THR A 25 4.510 -8.195 6.452 1.00 0.00 H new ATOM 0 HB THR A 25 2.588 -10.532 6.086 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.429 -8.697 5.505 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.160 -10.206 8.495 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.872 -10.578 8.184 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.374 -8.906 8.534 1.00 0.00 H new ATOM 395 N ALA A 26 5.265 -11.058 4.986 1.00 0.00 N ATOM 396 CA ALA A 26 6.255 -12.127 4.912 1.00 0.00 C ATOM 397 C ALA A 26 7.605 -11.596 4.425 1.00 0.00 C ATOM 398 O ALA A 26 8.650 -12.214 4.645 1.00 0.00 O ATOM 399 CB ALA A 26 5.762 -13.233 3.996 1.00 0.00 C ATOM 0 H ALA A 26 4.577 -11.073 4.233 1.00 0.00 H new ATOM 0 HA ALA A 26 6.394 -12.531 5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.509 -14.026 3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.828 -13.638 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.595 -12.831 2.997 1.00 0.00 H new ATOM 405 N ASN A 27 7.583 -10.448 3.786 1.00 0.00 N ATOM 406 CA ASN A 27 8.793 -9.826 3.250 1.00 0.00 C ATOM 407 C ASN A 27 9.325 -8.777 4.214 1.00 0.00 C ATOM 408 O ASN A 27 10.209 -7.987 3.857 1.00 0.00 O ATOM 409 CB ASN A 27 8.499 -9.161 1.901 1.00 0.00 C ATOM 410 CG ASN A 27 9.369 -9.685 0.779 1.00 0.00 C ATOM 411 OD1 ASN A 27 10.466 -9.165 0.524 1.00 0.00 O ATOM 412 ND2 ASN A 27 8.891 -10.693 0.084 1.00 0.00 N ATOM 0 H ASN A 27 6.731 -9.912 3.619 1.00 0.00 H new ATOM 0 HA ASN A 27 9.542 -10.607 3.116 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.451 -9.320 1.645 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.645 -8.085 1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.427 -11.074 -0.696 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.984 -11.094 0.324 1.00 0.00 H new ATOM 419 N ARG A 28 8.766 -8.765 5.434 1.00 0.00 N ATOM 420 CA ARG A 28 9.138 -7.808 6.501 1.00 0.00 C ATOM 421 C ARG A 28 8.808 -6.370 6.118 1.00 0.00 C ATOM 422 O ARG A 28 9.404 -5.434 6.635 1.00 0.00 O ATOM 423 CB ARG A 28 10.628 -7.918 6.908 1.00 0.00 C ATOM 424 CG ARG A 28 11.002 -9.184 7.655 1.00 0.00 C ATOM 425 CD ARG A 28 12.458 -9.138 8.105 1.00 0.00 C ATOM 426 NE ARG A 28 12.824 -10.300 8.926 1.00 0.00 N ATOM 427 CZ ARG A 28 13.951 -10.421 9.662 1.00 0.00 C ATOM 428 NH1 ARG A 28 14.879 -9.465 9.659 1.00 0.00 N ATOM 429 NH2 ARG A 28 14.146 -11.518 10.386 1.00 0.00 N ATOM 0 H ARG A 28 8.038 -9.421 5.715 1.00 0.00 H new ATOM 0 HA ARG A 28 8.535 -8.084 7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.240 -7.852 6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.882 -7.060 7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.353 -9.305 8.522 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.842 -10.051 7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.106 -9.096 7.229 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.632 -8.225 8.674 1.00 0.00 H new ATOM 0 HE ARG A 28 12.171 -11.083 8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.745 -8.626 9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.724 -9.573 10.220 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.448 -12.261 10.384 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.994 -11.617 10.944 1.00 0.00 H new ATOM 443 N ILE A 29 7.838 -6.196 5.260 1.00 0.00 N ATOM 444 CA ILE A 29 7.443 -4.879 4.822 1.00 0.00 C ATOM 445 C ILE A 29 6.333 -4.359 5.732 1.00 0.00 C ATOM 446 O ILE A 29 5.276 -4.985 5.850 1.00 0.00 O ATOM 447 CB ILE A 29 6.949 -4.896 3.345 1.00 0.00 C ATOM 448 CG1 ILE A 29 8.070 -5.384 2.403 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.452 -3.517 2.928 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.665 -5.520 0.950 1.00 0.00 C ATOM 0 H ILE A 29 7.300 -6.957 4.845 1.00 0.00 H new ATOM 0 HA ILE A 29 8.311 -4.222 4.877 1.00 0.00 H new ATOM 0 HB ILE A 29 6.115 -5.593 3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.908 -4.690 2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.428 -6.350 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.111 -3.551 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.625 -3.218 3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.263 -2.795 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.517 -5.868 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.849 -6.238 0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.337 -4.552 0.572 1.00 0.00 H new ATOM 462 N ALA A 30 6.586 -3.244 6.381 1.00 0.00 N ATOM 463 CA ALA A 30 5.613 -2.640 7.257 1.00 0.00 C ATOM 464 C ALA A 30 4.708 -1.729 6.456 1.00 0.00 C ATOM 465 O ALA A 30 5.148 -1.098 5.486 1.00 0.00 O ATOM 466 CB ALA A 30 6.297 -1.864 8.363 1.00 0.00 C ATOM 0 H ALA A 30 7.467 -2.735 6.316 1.00 0.00 H new ATOM 0 HA ALA A 30 5.015 -3.427 7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.545 -1.416 9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.925 -2.538 8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.915 -1.078 7.928 1.00 0.00 H new ATOM 472 N TYR A 31 3.473 -1.647 6.850 1.00 0.00 N ATOM 473 CA TYR A 31 2.496 -0.870 6.142 1.00 0.00 C ATOM 474 C TYR A 31 1.424 -0.419 7.092 1.00 0.00 C ATOM 475 O TYR A 31 1.124 -1.111 8.060 1.00 0.00 O ATOM 476 CB TYR A 31 1.881 -1.696 4.988 1.00 0.00 C ATOM 477 CG TYR A 31 1.274 -3.032 5.407 1.00 0.00 C ATOM 478 CD1 TYR A 31 2.045 -4.188 5.433 1.00 0.00 C ATOM 479 CD2 TYR A 31 -0.064 -3.132 5.778 1.00 0.00 C ATOM 480 CE1 TYR A 31 1.510 -5.395 5.820 1.00 0.00 C ATOM 481 CE2 TYR A 31 -0.606 -4.339 6.163 1.00 0.00 C ATOM 482 CZ TYR A 31 0.185 -5.466 6.184 1.00 0.00 C ATOM 483 OH TYR A 31 -0.363 -6.668 6.584 1.00 0.00 O ATOM 0 H TYR A 31 3.110 -2.120 7.678 1.00 0.00 H new ATOM 0 HA TYR A 31 2.983 0.006 5.713 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.109 -1.098 4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.654 -1.882 4.242 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.084 -4.138 5.144 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.687 -2.250 5.764 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.126 -6.282 5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.646 -4.401 6.447 1.00 0.00 H new ATOM 0 HH TYR A 31 0.325 -7.366 6.559 1.00 0.00 H new ATOM 493 N ASP A 32 0.872 0.721 6.845 1.00 0.00 N ATOM 494 CA ASP A 32 -0.204 1.210 7.658 1.00 0.00 C ATOM 495 C ASP A 32 -1.461 1.153 6.838 1.00 0.00 C ATOM 496 O ASP A 32 -1.539 1.787 5.778 1.00 0.00 O ATOM 497 CB ASP A 32 0.069 2.640 8.121 1.00 0.00 C ATOM 498 CG ASP A 32 -0.933 3.112 9.142 1.00 0.00 C ATOM 499 OD1 ASP A 32 -0.738 2.813 10.338 1.00 0.00 O ATOM 500 OD2 ASP A 32 -1.899 3.809 8.780 1.00 0.00 O ATOM 0 H ASP A 32 1.147 1.340 6.082 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.305 0.595 8.552 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.071 2.697 8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.049 3.308 7.260 1.00 0.00 H new ATOM 505 N GLU A 33 -2.403 0.352 7.257 1.00 0.00 N ATOM 506 CA GLU A 33 -3.628 0.211 6.522 1.00 0.00 C ATOM 507 C GLU A 33 -4.647 1.263 6.966 1.00 0.00 C ATOM 508 O GLU A 33 -4.663 1.671 8.134 1.00 0.00 O ATOM 509 CB GLU A 33 -4.159 -1.221 6.601 1.00 0.00 C ATOM 510 CG GLU A 33 -4.539 -1.723 7.977 1.00 0.00 C ATOM 511 CD GLU A 33 -4.943 -3.173 7.936 1.00 0.00 C ATOM 512 OE1 GLU A 33 -6.071 -3.486 7.468 1.00 0.00 O ATOM 513 OE2 GLU A 33 -4.117 -4.041 8.328 1.00 0.00 O ATOM 0 H GLU A 33 -2.345 -0.213 8.104 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.431 0.397 5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.034 -1.297 5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.402 -1.889 6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.698 -1.596 8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.361 -1.125 8.371 1.00 0.00 H new ATOM 520 N VAL A 34 -5.466 1.710 6.040 1.00 0.00 N ATOM 521 CA VAL A 34 -6.363 2.833 6.279 1.00 0.00 C ATOM 522 C VAL A 34 -7.749 2.395 6.808 1.00 0.00 C ATOM 523 O VAL A 34 -8.237 1.320 6.506 1.00 0.00 O ATOM 524 CB VAL A 34 -6.533 3.704 4.992 1.00 0.00 C ATOM 525 CG1 VAL A 34 -7.181 5.040 5.286 1.00 0.00 C ATOM 526 CG2 VAL A 34 -5.211 3.902 4.279 1.00 0.00 C ATOM 0 H VAL A 34 -5.534 1.312 5.103 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.893 3.433 7.058 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.202 3.153 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.278 5.609 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.169 4.878 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.564 5.596 5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.365 4.512 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.510 4.404 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.805 2.933 3.989 1.00 0.00 H new ATOM 536 N ASP A 35 -8.342 3.299 7.562 1.00 0.00 N ATOM 537 CA ASP A 35 -9.644 3.211 8.264 1.00 0.00 C ATOM 538 C ASP A 35 -10.867 3.417 7.315 1.00 0.00 C ATOM 539 O ASP A 35 -11.990 3.438 7.770 1.00 0.00 O ATOM 540 CB ASP A 35 -9.663 4.228 9.447 1.00 0.00 C ATOM 541 CG ASP A 35 -10.851 4.083 10.405 1.00 0.00 C ATOM 542 OD1 ASP A 35 -10.910 3.070 11.153 1.00 0.00 O ATOM 543 OD2 ASP A 35 -11.708 4.999 10.473 1.00 0.00 O ATOM 0 H ASP A 35 -7.899 4.203 7.725 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.744 2.198 8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.740 4.117 10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.666 5.238 9.038 1.00 0.00 H new ATOM 548 N ILE A 36 -10.614 3.613 5.998 1.00 0.00 N ATOM 549 CA ILE A 36 -11.637 4.085 4.969 1.00 0.00 C ATOM 550 C ILE A 36 -13.051 3.449 5.039 1.00 0.00 C ATOM 551 O ILE A 36 -14.003 4.048 4.545 1.00 0.00 O ATOM 552 CB ILE A 36 -11.174 3.868 3.492 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.933 2.384 3.195 1.00 0.00 C ATOM 554 CG2 ILE A 36 -9.938 4.679 3.172 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.953 2.047 1.709 1.00 0.00 C ATOM 0 H ILE A 36 -9.692 3.453 5.593 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.705 5.137 5.246 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.982 4.217 2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.970 2.091 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.694 1.792 3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.645 4.503 2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.151 5.739 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.126 4.381 3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.775 0.980 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.925 2.308 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.173 2.611 1.197 1.00 0.00 H new ATOM 567 N GLU A 37 -13.204 2.285 5.617 1.00 0.00 N ATOM 568 CA GLU A 37 -14.529 1.687 5.699 1.00 0.00 C ATOM 569 C GLU A 37 -15.362 2.416 6.764 1.00 0.00 C ATOM 570 O GLU A 37 -16.591 2.415 6.741 1.00 0.00 O ATOM 571 CB GLU A 37 -14.421 0.195 5.983 1.00 0.00 C ATOM 572 CG GLU A 37 -13.940 -0.156 7.375 1.00 0.00 C ATOM 573 CD GLU A 37 -13.593 -1.604 7.504 1.00 0.00 C ATOM 574 OE1 GLU A 37 -14.497 -2.446 7.666 1.00 0.00 O ATOM 575 OE2 GLU A 37 -12.400 -1.933 7.424 1.00 0.00 O ATOM 0 H GLU A 37 -12.451 1.736 6.032 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.039 1.797 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -15.398 -0.261 5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.741 -0.250 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.066 0.448 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.714 0.096 8.100 1.00 0.00 H new ATOM 582 N HIS A 38 -14.660 3.060 7.654 1.00 0.00 N ATOM 583 CA HIS A 38 -15.223 3.820 8.727 1.00 0.00 C ATOM 584 C HIS A 38 -14.960 5.323 8.490 1.00 0.00 C ATOM 585 O HIS A 38 -15.788 6.173 8.837 1.00 0.00 O ATOM 586 CB HIS A 38 -14.583 3.335 10.035 1.00 0.00 C ATOM 587 CG HIS A 38 -14.965 4.080 11.272 1.00 0.00 C ATOM 588 ND1 HIS A 38 -14.068 4.792 12.023 1.00 0.00 N ATOM 589 CD2 HIS A 38 -16.151 4.175 11.906 1.00 0.00 C ATOM 590 CE1 HIS A 38 -14.709 5.291 13.079 1.00 0.00 C ATOM 591 NE2 HIS A 38 -15.997 4.946 13.059 1.00 0.00 N ATOM 0 H HIS A 38 -13.640 3.068 7.649 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.303 3.681 8.784 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.841 2.285 10.174 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -13.500 3.385 9.926 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -13.078 4.919 11.810 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -17.075 3.725 11.574 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.248 5.894 13.847 1.00 0.00 H new ATOM 599 N ASN A 39 -13.814 5.640 7.914 1.00 0.00 N ATOM 600 CA ASN A 39 -13.443 7.031 7.616 1.00 0.00 C ATOM 601 C ASN A 39 -13.896 7.423 6.223 1.00 0.00 C ATOM 602 O ASN A 39 -13.352 6.931 5.233 1.00 0.00 O ATOM 603 CB ASN A 39 -11.933 7.229 7.680 1.00 0.00 C ATOM 604 CG ASN A 39 -11.523 8.680 7.428 1.00 0.00 C ATOM 605 OD1 ASN A 39 -12.211 9.617 7.821 1.00 0.00 O ATOM 606 ND2 ASN A 39 -10.469 8.870 6.690 1.00 0.00 N ATOM 0 H ASN A 39 -13.112 4.953 7.637 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.932 7.652 8.366 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.570 6.917 8.659 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.454 6.586 6.942 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.196 9.816 6.424 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.915 8.073 6.377 1.00 0.00 H new ATOM 613 N ARG A 40 -14.838 8.343 6.136 1.00 0.00 N ATOM 614 CA ARG A 40 -15.356 8.765 4.836 1.00 0.00 C ATOM 615 C ARG A 40 -14.340 9.608 4.073 1.00 0.00 C ATOM 616 O ARG A 40 -14.296 9.565 2.854 1.00 0.00 O ATOM 617 CB ARG A 40 -16.693 9.538 4.948 1.00 0.00 C ATOM 618 CG ARG A 40 -16.612 10.857 5.718 1.00 0.00 C ATOM 619 CD ARG A 40 -17.915 11.643 5.652 1.00 0.00 C ATOM 620 NE ARG A 40 -18.213 12.116 4.293 1.00 0.00 N ATOM 621 CZ ARG A 40 -19.128 13.047 3.978 1.00 0.00 C ATOM 622 NH1 ARG A 40 -19.922 13.545 4.906 1.00 0.00 N ATOM 623 NH2 ARG A 40 -19.254 13.452 2.726 1.00 0.00 N ATOM 0 H ARG A 40 -15.260 8.812 6.937 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.545 7.846 4.281 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.063 9.743 3.943 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.428 8.895 5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.365 10.653 6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.803 11.464 5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.734 11.015 6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.856 12.497 6.327 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.681 11.703 3.526 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.843 13.223 5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.615 14.252 4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.656 13.057 2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.949 14.159 2.486 1.00 0.00 H new ATOM 637 N ALA A 41 -13.494 10.337 4.795 1.00 0.00 N ATOM 638 CA ALA A 41 -12.568 11.257 4.156 1.00 0.00 C ATOM 639 C ALA A 41 -11.508 10.558 3.314 1.00 0.00 C ATOM 640 O ALA A 41 -11.289 10.921 2.158 1.00 0.00 O ATOM 641 CB ALA A 41 -11.988 12.269 5.136 1.00 0.00 C ATOM 0 H ALA A 41 -13.433 10.307 5.813 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.159 11.832 3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.302 12.933 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.796 12.855 5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.450 11.744 5.925 1.00 0.00 H new ATOM 647 N ALA A 42 -10.893 9.539 3.846 1.00 0.00 N ATOM 648 CA ALA A 42 -9.884 8.824 3.081 1.00 0.00 C ATOM 649 C ALA A 42 -10.540 7.927 2.039 1.00 0.00 C ATOM 650 O ALA A 42 -9.949 7.629 1.015 1.00 0.00 O ATOM 651 CB ALA A 42 -8.954 8.039 3.986 1.00 0.00 C ATOM 0 H ALA A 42 -11.061 9.182 4.787 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.273 9.559 2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.213 7.517 3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.449 8.722 4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.531 7.313 4.559 1.00 0.00 H new ATOM 657 N ALA A 43 -11.784 7.528 2.302 1.00 0.00 N ATOM 658 CA ALA A 43 -12.545 6.713 1.365 1.00 0.00 C ATOM 659 C ALA A 43 -12.833 7.526 0.113 1.00 0.00 C ATOM 660 O ALA A 43 -12.678 7.050 -1.010 1.00 0.00 O ATOM 661 CB ALA A 43 -13.831 6.243 2.013 1.00 0.00 C ATOM 0 H ALA A 43 -12.285 7.759 3.160 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.966 5.833 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.394 5.634 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.597 5.649 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.429 7.107 2.304 1.00 0.00 H new ATOM 667 N GLU A 44 -13.200 8.776 0.342 1.00 0.00 N ATOM 668 CA GLU A 44 -13.446 9.758 -0.698 1.00 0.00 C ATOM 669 C GLU A 44 -12.175 9.952 -1.534 1.00 0.00 C ATOM 670 O GLU A 44 -12.223 10.044 -2.767 1.00 0.00 O ATOM 671 CB GLU A 44 -13.842 11.067 -0.016 1.00 0.00 C ATOM 672 CG GLU A 44 -14.175 12.216 -0.933 1.00 0.00 C ATOM 673 CD GLU A 44 -14.582 13.435 -0.156 1.00 0.00 C ATOM 674 OE1 GLU A 44 -15.723 13.487 0.319 1.00 0.00 O ATOM 675 OE2 GLU A 44 -13.778 14.384 -0.009 1.00 0.00 O ATOM 0 H GLU A 44 -13.339 9.145 1.283 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.243 9.428 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.705 10.875 0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.026 11.375 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.311 12.450 -1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.982 11.925 -1.606 1.00 0.00 H new ATOM 682 N PHE A 45 -11.045 9.957 -0.846 1.00 0.00 N ATOM 683 CA PHE A 45 -9.743 10.138 -1.460 1.00 0.00 C ATOM 684 C PHE A 45 -9.405 8.964 -2.399 1.00 0.00 C ATOM 685 O PHE A 45 -8.759 9.155 -3.435 1.00 0.00 O ATOM 686 CB PHE A 45 -8.667 10.313 -0.375 1.00 0.00 C ATOM 687 CG PHE A 45 -7.292 10.574 -0.915 1.00 0.00 C ATOM 688 CD1 PHE A 45 -6.910 11.854 -1.273 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.393 9.536 -1.082 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.653 12.098 -1.785 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.137 9.771 -1.599 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.765 11.055 -1.950 1.00 0.00 C ATOM 0 H PHE A 45 -11.007 9.834 0.166 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.768 11.043 -2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.953 11.139 0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.639 9.415 0.243 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.604 12.672 -1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.678 8.532 -0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.364 13.103 -2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.444 8.953 -1.730 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.781 11.242 -2.353 1.00 0.00 H new ATOM 702 N VAL A 46 -9.876 7.762 -2.053 1.00 0.00 N ATOM 703 CA VAL A 46 -9.655 6.563 -2.879 1.00 0.00 C ATOM 704 C VAL A 46 -10.258 6.777 -4.270 1.00 0.00 C ATOM 705 O VAL A 46 -9.685 6.365 -5.288 1.00 0.00 O ATOM 706 CB VAL A 46 -10.274 5.284 -2.227 1.00 0.00 C ATOM 707 CG1 VAL A 46 -10.046 4.050 -3.089 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.698 5.052 -0.849 1.00 0.00 C ATOM 0 H VAL A 46 -10.415 7.590 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.579 6.407 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.348 5.453 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.490 3.180 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.509 4.197 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.976 3.888 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.143 4.157 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.618 4.921 -0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.916 5.911 -0.214 1.00 0.00 H new ATOM 718 N GLY A 47 -11.366 7.502 -4.300 1.00 0.00 N ATOM 719 CA GLY A 47 -12.048 7.817 -5.538 1.00 0.00 C ATOM 720 C GLY A 47 -11.223 8.706 -6.457 1.00 0.00 C ATOM 721 O GLY A 47 -11.482 8.792 -7.656 1.00 0.00 O ATOM 0 H GLY A 47 -11.814 7.886 -3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.292 6.891 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.992 8.313 -5.311 1.00 0.00 H new ATOM 725 N SER A 48 -10.228 9.362 -5.907 1.00 0.00 N ATOM 726 CA SER A 48 -9.380 10.220 -6.681 1.00 0.00 C ATOM 727 C SER A 48 -8.310 9.400 -7.405 1.00 0.00 C ATOM 728 O SER A 48 -7.842 9.797 -8.458 1.00 0.00 O ATOM 729 CB SER A 48 -8.741 11.299 -5.790 1.00 0.00 C ATOM 730 OG SER A 48 -7.916 12.195 -6.539 1.00 0.00 O ATOM 0 H SER A 48 -9.989 9.313 -4.917 1.00 0.00 H new ATOM 0 HA SER A 48 -9.988 10.724 -7.432 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.525 11.864 -5.287 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.144 10.821 -5.013 1.00 0.00 H new ATOM 0 HG SER A 48 -7.531 12.865 -5.937 1.00 0.00 H new ATOM 736 N VAL A 49 -7.946 8.249 -6.860 1.00 0.00 N ATOM 737 CA VAL A 49 -6.902 7.451 -7.484 1.00 0.00 C ATOM 738 C VAL A 49 -7.460 6.305 -8.330 1.00 0.00 C ATOM 739 O VAL A 49 -6.797 5.826 -9.247 1.00 0.00 O ATOM 740 CB VAL A 49 -5.799 6.967 -6.489 1.00 0.00 C ATOM 741 CG1 VAL A 49 -5.042 8.156 -5.916 1.00 0.00 C ATOM 742 CG2 VAL A 49 -6.374 6.130 -5.357 1.00 0.00 C ATOM 0 H VAL A 49 -8.346 7.854 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.399 8.133 -8.169 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.114 6.335 -7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.277 7.802 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.570 8.711 -6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.736 8.808 -5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.570 5.817 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.098 6.723 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.867 5.250 -5.770 1.00 0.00 H new ATOM 752 N ASN A 50 -8.673 5.882 -8.046 1.00 0.00 N ATOM 753 CA ASN A 50 -9.330 4.858 -8.855 1.00 0.00 C ATOM 754 C ASN A 50 -10.819 5.101 -8.873 1.00 0.00 C ATOM 755 O ASN A 50 -11.359 5.712 -7.946 1.00 0.00 O ATOM 756 CB ASN A 50 -9.023 3.415 -8.380 1.00 0.00 C ATOM 757 CG ASN A 50 -9.476 3.101 -6.960 1.00 0.00 C ATOM 758 OD1 ASN A 50 -10.624 2.714 -6.725 1.00 0.00 O ATOM 759 ND2 ASN A 50 -8.571 3.188 -6.020 1.00 0.00 N ATOM 0 H ASN A 50 -9.230 6.226 -7.264 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.927 4.940 -9.864 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.502 2.713 -9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.949 3.245 -8.450 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.806 2.932 -5.061 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.630 3.512 -6.246 1.00 0.00 H new ATOM 766 N GLY A 51 -11.476 4.646 -9.908 1.00 0.00 N ATOM 767 CA GLY A 51 -12.894 4.850 -10.040 1.00 0.00 C ATOM 768 C GLY A 51 -13.556 3.663 -10.685 1.00 0.00 C ATOM 769 O GLY A 51 -12.867 2.778 -11.211 1.00 0.00 O ATOM 0 H GLY A 51 -11.048 4.129 -10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.332 5.025 -9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.082 5.743 -10.636 1.00 0.00 H new ATOM 773 N GLY A 52 -14.871 3.643 -10.677 1.00 0.00 N ATOM 774 CA GLY A 52 -15.614 2.533 -11.226 1.00 0.00 C ATOM 775 C GLY A 52 -15.741 1.450 -10.195 1.00 0.00 C ATOM 776 O GLY A 52 -16.753 1.356 -9.485 1.00 0.00 O ATOM 0 H GLY A 52 -15.450 4.390 -10.293 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.603 2.865 -11.542 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.109 2.148 -12.112 1.00 0.00 H new ATOM 780 N ASN A 53 -14.723 0.654 -10.094 1.00 0.00 N ATOM 781 CA ASN A 53 -14.631 -0.356 -9.073 1.00 0.00 C ATOM 782 C ASN A 53 -13.657 0.141 -8.064 1.00 0.00 C ATOM 783 O ASN A 53 -12.521 0.490 -8.426 1.00 0.00 O ATOM 784 CB ASN A 53 -14.128 -1.702 -9.630 1.00 0.00 C ATOM 785 CG ASN A 53 -15.116 -2.416 -10.529 1.00 0.00 C ATOM 786 OD1 ASN A 53 -15.154 -2.193 -11.749 1.00 0.00 O ATOM 787 ND2 ASN A 53 -15.896 -3.299 -9.961 1.00 0.00 N ATOM 0 H ASN A 53 -13.920 0.683 -10.723 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.620 -0.531 -8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.207 -1.529 -10.187 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.877 -2.356 -8.795 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.561 -3.829 -10.524 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.839 -3.458 -8.955 1.00 0.00 H new ATOM 794 N ARG A 54 -14.070 0.233 -6.814 1.00 0.00 N ATOM 795 CA ARG A 54 -13.170 0.691 -5.792 1.00 0.00 C ATOM 796 C ARG A 54 -12.069 -0.314 -5.583 1.00 0.00 C ATOM 797 O ARG A 54 -12.285 -1.400 -5.041 1.00 0.00 O ATOM 798 CB ARG A 54 -13.874 1.021 -4.472 1.00 0.00 C ATOM 799 CG ARG A 54 -12.920 1.483 -3.383 1.00 0.00 C ATOM 800 CD ARG A 54 -13.661 1.987 -2.172 1.00 0.00 C ATOM 801 NE ARG A 54 -14.554 0.984 -1.578 1.00 0.00 N ATOM 802 CZ ARG A 54 -15.467 1.263 -0.641 1.00 0.00 C ATOM 803 NH1 ARG A 54 -15.718 2.530 -0.322 1.00 0.00 N ATOM 804 NH2 ARG A 54 -16.173 0.283 -0.077 1.00 0.00 N ATOM 0 H ARG A 54 -15.009 -0.001 -6.492 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.739 1.628 -6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.617 1.799 -4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.412 0.139 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.270 0.657 -3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.278 2.273 -3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.939 2.311 -1.422 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.245 2.864 -2.451 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.473 0.019 -1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.215 3.283 -0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.413 2.748 0.392 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.018 -0.685 -0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.868 0.501 0.637 1.00 0.00 H new ATOM 818 N THR A 55 -10.922 0.037 -6.057 1.00 0.00 N ATOM 819 CA THR A 55 -9.774 -0.771 -5.931 1.00 0.00 C ATOM 820 C THR A 55 -9.259 -0.587 -4.528 1.00 0.00 C ATOM 821 O THR A 55 -8.815 0.517 -4.159 1.00 0.00 O ATOM 822 CB THR A 55 -8.722 -0.326 -6.944 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.349 -0.221 -8.250 1.00 0.00 O ATOM 824 CG2 THR A 55 -7.596 -1.338 -6.997 1.00 0.00 C ATOM 0 H THR A 55 -10.761 0.914 -6.552 1.00 0.00 H new ATOM 0 HA THR A 55 -10.004 -1.819 -6.121 1.00 0.00 H new ATOM 0 HB THR A 55 -8.311 0.640 -6.649 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.684 0.066 -8.910 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.849 -1.014 -7.722 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.135 -1.421 -6.013 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.993 -2.309 -7.294 1.00 0.00 H new ATOM 832 N VAL A 56 -9.374 -1.609 -3.730 1.00 0.00 N ATOM 833 CA VAL A 56 -9.018 -1.478 -2.355 1.00 0.00 C ATOM 834 C VAL A 56 -7.547 -1.493 -2.129 1.00 0.00 C ATOM 835 O VAL A 56 -7.055 -0.507 -1.612 1.00 0.00 O ATOM 836 CB VAL A 56 -9.636 -2.501 -1.404 1.00 0.00 C ATOM 837 CG1 VAL A 56 -9.453 -2.015 0.027 1.00 0.00 C ATOM 838 CG2 VAL A 56 -11.077 -2.724 -1.692 1.00 0.00 C ATOM 0 H VAL A 56 -9.708 -2.532 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.441 -0.502 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.130 -3.456 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.891 -2.738 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.390 -1.907 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.947 -1.051 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.478 -3.458 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.619 -1.785 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.192 -3.093 -2.711 1.00 0.00 H new ATOM 848 N PRO A 57 -6.764 -2.578 -2.548 1.00 0.00 N ATOM 849 CA PRO A 57 -5.377 -2.725 -2.119 1.00 0.00 C ATOM 850 C PRO A 57 -4.395 -1.731 -2.801 1.00 0.00 C ATOM 851 O PRO A 57 -3.284 -2.085 -3.229 1.00 0.00 O ATOM 852 CB PRO A 57 -5.035 -4.150 -2.486 1.00 0.00 C ATOM 853 CG PRO A 57 -5.822 -4.387 -3.708 1.00 0.00 C ATOM 854 CD PRO A 57 -7.135 -3.713 -3.458 1.00 0.00 C ATOM 0 HA PRO A 57 -5.276 -2.504 -1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.967 -4.273 -2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.307 -4.846 -1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.325 -3.971 -4.585 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.954 -5.453 -3.892 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.588 -3.357 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.852 -4.387 -2.990 1.00 0.00 H new ATOM 862 N THR A 58 -4.811 -0.538 -2.842 1.00 0.00 N ATOM 863 CA THR A 58 -4.120 0.552 -3.357 1.00 0.00 C ATOM 864 C THR A 58 -3.128 1.012 -2.282 1.00 0.00 C ATOM 865 O THR A 58 -3.452 1.012 -1.084 1.00 0.00 O ATOM 866 CB THR A 58 -5.172 1.650 -3.655 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.124 1.143 -4.621 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.543 2.928 -4.187 1.00 0.00 C ATOM 0 H THR A 58 -5.729 -0.279 -2.482 1.00 0.00 H new ATOM 0 HA THR A 58 -3.571 0.319 -4.269 1.00 0.00 H new ATOM 0 HB THR A 58 -5.667 1.898 -2.716 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.000 1.042 -4.194 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.323 3.665 -4.380 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.844 3.324 -3.450 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.010 2.713 -5.113 1.00 0.00 H new ATOM 876 N VAL A 59 -1.940 1.341 -2.681 1.00 0.00 N ATOM 877 CA VAL A 59 -0.939 1.754 -1.745 1.00 0.00 C ATOM 878 C VAL A 59 -0.422 3.140 -2.093 1.00 0.00 C ATOM 879 O VAL A 59 -0.224 3.473 -3.270 1.00 0.00 O ATOM 880 CB VAL A 59 0.230 0.720 -1.664 1.00 0.00 C ATOM 881 CG1 VAL A 59 0.843 0.489 -3.025 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.298 1.145 -0.652 1.00 0.00 C ATOM 0 H VAL A 59 -1.637 1.332 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.401 1.799 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.195 -0.221 -1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.654 -0.234 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.083 0.105 -3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.235 1.430 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.092 0.399 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.714 2.109 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.848 1.230 0.337 1.00 0.00 H new ATOM 892 N LYS A 60 -0.277 3.949 -1.091 1.00 0.00 N ATOM 893 CA LYS A 60 0.287 5.248 -1.228 1.00 0.00 C ATOM 894 C LYS A 60 1.590 5.276 -0.461 1.00 0.00 C ATOM 895 O LYS A 60 1.653 4.824 0.690 1.00 0.00 O ATOM 896 CB LYS A 60 -0.672 6.314 -0.696 1.00 0.00 C ATOM 897 CG LYS A 60 -0.162 7.745 -0.855 1.00 0.00 C ATOM 898 CD LYS A 60 -1.188 8.765 -0.383 1.00 0.00 C ATOM 899 CE LYS A 60 -1.434 8.706 1.125 1.00 0.00 C ATOM 900 NZ LYS A 60 -0.246 9.118 1.905 1.00 0.00 N ATOM 0 H LYS A 60 -0.554 3.717 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 60 0.466 5.467 -2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.627 6.220 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.862 6.122 0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.760 7.868 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.081 7.931 -1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.849 9.765 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.129 8.596 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.274 9.352 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.716 7.691 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.504 9.209 2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.502 8.402 1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.101 10.033 1.552 1.00 0.00 H new ATOM 914 N PHE A 61 2.614 5.743 -1.094 1.00 0.00 N ATOM 915 CA PHE A 61 3.901 5.846 -0.482 1.00 0.00 C ATOM 916 C PHE A 61 4.147 7.274 -0.033 1.00 0.00 C ATOM 917 O PHE A 61 3.608 8.230 -0.621 1.00 0.00 O ATOM 918 CB PHE A 61 4.999 5.363 -1.435 1.00 0.00 C ATOM 919 CG PHE A 61 4.943 3.892 -1.733 1.00 0.00 C ATOM 920 CD1 PHE A 61 4.158 3.384 -2.762 1.00 0.00 C ATOM 921 CD2 PHE A 61 5.676 3.013 -0.973 1.00 0.00 C ATOM 922 CE1 PHE A 61 4.117 2.023 -3.007 1.00 0.00 C ATOM 923 CE2 PHE A 61 5.640 1.666 -1.212 1.00 0.00 C ATOM 924 CZ PHE A 61 4.857 1.165 -2.228 1.00 0.00 C ATOM 0 H PHE A 61 2.583 6.068 -2.060 1.00 0.00 H new ATOM 0 HA PHE A 61 3.926 5.201 0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.923 5.916 -2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.971 5.599 -1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.576 4.057 -3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.293 3.392 -0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.505 1.635 -3.808 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.227 0.995 -0.603 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.824 0.101 -2.412 1.00 0.00 H new ATOM 934 N ALA A 62 4.955 7.417 0.996 1.00 0.00 N ATOM 935 CA ALA A 62 5.274 8.706 1.623 1.00 0.00 C ATOM 936 C ALA A 62 6.008 9.681 0.686 1.00 0.00 C ATOM 937 O ALA A 62 6.188 10.854 1.013 1.00 0.00 O ATOM 938 CB ALA A 62 6.072 8.481 2.895 1.00 0.00 C ATOM 0 H ALA A 62 5.426 6.628 1.439 1.00 0.00 H new ATOM 0 HA ALA A 62 4.323 9.181 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.304 9.442 3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.487 7.879 3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.999 7.960 2.656 1.00 0.00 H new ATOM 944 N ASP A 63 6.439 9.199 -0.457 1.00 0.00 N ATOM 945 CA ASP A 63 7.142 10.027 -1.438 1.00 0.00 C ATOM 946 C ASP A 63 6.130 10.661 -2.397 1.00 0.00 C ATOM 947 O ASP A 63 6.458 11.576 -3.160 1.00 0.00 O ATOM 948 CB ASP A 63 8.126 9.176 -2.248 1.00 0.00 C ATOM 949 CG ASP A 63 7.432 8.299 -3.271 1.00 0.00 C ATOM 950 OD1 ASP A 63 6.470 7.610 -2.929 1.00 0.00 O ATOM 951 OD2 ASP A 63 7.803 8.347 -4.455 1.00 0.00 O ATOM 0 H ASP A 63 6.318 8.227 -0.742 1.00 0.00 H new ATOM 0 HA ASP A 63 7.690 10.804 -0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.834 9.831 -2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.703 8.549 -1.569 1.00 0.00 H new ATOM 956 N GLY A 64 4.914 10.154 -2.372 1.00 0.00 N ATOM 957 CA GLY A 64 3.880 10.665 -3.228 1.00 0.00 C ATOM 958 C GLY A 64 3.499 9.692 -4.326 1.00 0.00 C ATOM 959 O GLY A 64 2.680 10.017 -5.199 1.00 0.00 O ATOM 0 H GLY A 64 4.624 9.387 -1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.999 10.895 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.214 11.601 -3.676 1.00 0.00 H new ATOM 963 N SER A 65 4.093 8.519 -4.320 1.00 0.00 N ATOM 964 CA SER A 65 3.745 7.523 -5.299 1.00 0.00 C ATOM 965 C SER A 65 2.500 6.760 -4.874 1.00 0.00 C ATOM 966 O SER A 65 2.401 6.320 -3.733 1.00 0.00 O ATOM 967 CB SER A 65 4.896 6.533 -5.513 1.00 0.00 C ATOM 968 OG SER A 65 6.068 7.173 -6.016 1.00 0.00 O ATOM 0 H SER A 65 4.812 8.237 -3.654 1.00 0.00 H new ATOM 0 HA SER A 65 3.546 8.043 -6.236 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.129 6.040 -4.569 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.581 5.756 -6.209 1.00 0.00 H new ATOM 0 HG SER A 65 6.738 7.236 -5.303 1.00 0.00 H new ATOM 974 N THR A 66 1.556 6.631 -5.763 1.00 0.00 N ATOM 975 CA THR A 66 0.434 5.777 -5.515 1.00 0.00 C ATOM 976 C THR A 66 0.506 4.641 -6.497 1.00 0.00 C ATOM 977 O THR A 66 0.808 4.859 -7.669 1.00 0.00 O ATOM 978 CB THR A 66 -0.909 6.528 -5.697 1.00 0.00 C ATOM 979 OG1 THR A 66 -0.873 7.326 -6.898 1.00 0.00 O ATOM 980 CG2 THR A 66 -1.237 7.403 -4.496 1.00 0.00 C ATOM 0 H THR A 66 1.543 7.107 -6.665 1.00 0.00 H new ATOM 0 HA THR A 66 0.472 5.422 -4.485 1.00 0.00 H new ATOM 0 HB THR A 66 -1.696 5.779 -5.783 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.727 7.795 -7.005 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.186 7.912 -4.665 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.312 6.782 -3.603 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.448 8.143 -4.359 1.00 0.00 H new ATOM 988 N LEU A 67 0.244 3.461 -6.038 1.00 0.00 N ATOM 989 CA LEU A 67 0.282 2.289 -6.871 1.00 0.00 C ATOM 990 C LEU A 67 -1.013 1.523 -6.726 1.00 0.00 C ATOM 991 O LEU A 67 -1.361 1.061 -5.629 1.00 0.00 O ATOM 992 CB LEU A 67 1.515 1.382 -6.566 1.00 0.00 C ATOM 993 CG LEU A 67 2.885 1.746 -7.228 1.00 0.00 C ATOM 994 CD1 LEU A 67 3.448 3.099 -6.806 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.910 0.638 -7.021 1.00 0.00 C ATOM 0 H LEU A 67 -0.005 3.275 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 67 0.393 2.614 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.660 1.371 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.261 0.365 -6.864 1.00 0.00 H new ATOM 0 HG LEU A 67 2.673 1.839 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.398 3.271 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.745 3.886 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.604 3.108 -5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.851 0.920 -7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.070 0.485 -5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.543 -0.286 -7.469 1.00 0.00 H new ATOM 1007 N THR A 68 -1.732 1.430 -7.805 1.00 0.00 N ATOM 1008 CA THR A 68 -3.002 0.763 -7.827 1.00 0.00 C ATOM 1009 C THR A 68 -2.796 -0.682 -8.340 1.00 0.00 C ATOM 1010 O THR A 68 -2.439 -0.888 -9.507 1.00 0.00 O ATOM 1011 CB THR A 68 -3.960 1.551 -8.750 1.00 0.00 C ATOM 1012 OG1 THR A 68 -3.891 2.953 -8.400 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.391 1.082 -8.566 1.00 0.00 C ATOM 0 H THR A 68 -1.451 1.819 -8.705 1.00 0.00 H new ATOM 0 HA THR A 68 -3.438 0.719 -6.829 1.00 0.00 H new ATOM 0 HB THR A 68 -3.662 1.389 -9.786 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.493 3.465 -8.980 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.048 1.650 -9.225 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.461 0.022 -8.810 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.694 1.237 -7.531 1.00 0.00 H new ATOM 1021 N ASN A 69 -3.002 -1.651 -7.452 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.740 -3.093 -7.711 1.00 0.00 C ATOM 1023 C ASN A 69 -1.313 -3.368 -8.197 1.00 0.00 C ATOM 1024 O ASN A 69 -1.088 -3.645 -9.389 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.736 -3.773 -8.674 1.00 0.00 C ATOM 1026 CG ASN A 69 -5.132 -3.951 -8.131 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -5.345 -4.032 -6.926 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -6.083 -4.058 -9.022 1.00 0.00 N ATOM 0 H ASN A 69 -3.360 -1.470 -6.514 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.881 -3.540 -6.727 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.791 -3.184 -9.590 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.342 -4.752 -8.948 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.046 -4.215 -8.724 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.862 -3.984 -10.015 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.315 -3.214 -7.333 1.00 0.00 N ATOM 1036 CA PRO A 70 1.054 -3.540 -7.674 1.00 0.00 C ATOM 1037 C PRO A 70 1.428 -4.954 -7.214 1.00 0.00 C ATOM 1038 O PRO A 70 0.641 -5.637 -6.537 1.00 0.00 O ATOM 1039 CB PRO A 70 1.820 -2.521 -6.850 1.00 0.00 C ATOM 1040 CG PRO A 70 1.040 -2.442 -5.578 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.409 -2.648 -5.964 1.00 0.00 C ATOM 0 HA PRO A 70 1.250 -3.514 -8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.847 -2.840 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.869 -1.554 -7.351 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.368 -3.204 -4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.181 -1.476 -5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.916 -3.329 -5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.966 -1.711 -5.952 1.00 0.00 H new ATOM 1049 N SER A 71 2.589 -5.393 -7.600 1.00 0.00 N ATOM 1050 CA SER A 71 3.120 -6.625 -7.110 1.00 0.00 C ATOM 1051 C SER A 71 3.994 -6.289 -5.908 1.00 0.00 C ATOM 1052 O SER A 71 4.422 -5.123 -5.750 1.00 0.00 O ATOM 1053 CB SER A 71 3.960 -7.319 -8.200 1.00 0.00 C ATOM 1054 OG SER A 71 4.409 -8.599 -7.782 1.00 0.00 O ATOM 0 H SER A 71 3.192 -4.906 -8.263 1.00 0.00 H new ATOM 0 HA SER A 71 2.317 -7.306 -6.829 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.365 -7.421 -9.108 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.819 -6.696 -8.449 1.00 0.00 H new ATOM 0 HG SER A 71 5.351 -8.712 -8.029 1.00 0.00 H new ATOM 1060 N ALA A 72 4.278 -7.278 -5.082 1.00 0.00 N ATOM 1061 CA ALA A 72 5.128 -7.107 -3.908 1.00 0.00 C ATOM 1062 C ALA A 72 6.516 -6.631 -4.326 1.00 0.00 C ATOM 1063 O ALA A 72 7.191 -5.914 -3.590 1.00 0.00 O ATOM 1064 CB ALA A 72 5.227 -8.412 -3.153 1.00 0.00 C ATOM 0 H ALA A 72 3.927 -8.228 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 72 4.686 -6.354 -3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.863 -8.279 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.232 -8.725 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.657 -9.175 -3.801 1.00 0.00 H new ATOM 1070 N ASP A 73 6.901 -7.021 -5.540 1.00 0.00 N ATOM 1071 CA ASP A 73 8.173 -6.640 -6.161 1.00 0.00 C ATOM 1072 C ASP A 73 8.296 -5.139 -6.216 1.00 0.00 C ATOM 1073 O ASP A 73 9.295 -4.567 -5.771 1.00 0.00 O ATOM 1074 CB ASP A 73 8.246 -7.163 -7.599 1.00 0.00 C ATOM 1075 CG ASP A 73 8.138 -8.647 -7.708 1.00 0.00 C ATOM 1076 OD1 ASP A 73 9.173 -9.341 -7.651 1.00 0.00 O ATOM 1077 OD2 ASP A 73 7.008 -9.159 -7.849 1.00 0.00 O ATOM 0 H ASP A 73 6.328 -7.622 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 73 8.976 -7.069 -5.561 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.446 -6.706 -8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.188 -6.843 -8.044 1.00 0.00 H new ATOM 1082 N GLU A 74 7.244 -4.513 -6.725 1.00 0.00 N ATOM 1083 CA GLU A 74 7.175 -3.076 -6.915 1.00 0.00 C ATOM 1084 C GLU A 74 7.204 -2.364 -5.591 1.00 0.00 C ATOM 1085 O GLU A 74 7.896 -1.369 -5.431 1.00 0.00 O ATOM 1086 CB GLU A 74 5.890 -2.719 -7.652 1.00 0.00 C ATOM 1087 CG GLU A 74 5.791 -3.327 -9.027 1.00 0.00 C ATOM 1088 CD GLU A 74 6.886 -2.846 -9.929 1.00 0.00 C ATOM 1089 OE1 GLU A 74 6.760 -1.745 -10.493 1.00 0.00 O ATOM 1090 OE2 GLU A 74 7.895 -3.544 -10.081 1.00 0.00 O ATOM 0 H GLU A 74 6.400 -5.002 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 74 8.038 -2.762 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.037 -3.047 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.820 -1.635 -7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.836 -4.413 -8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.824 -3.079 -9.465 1.00 0.00 H new ATOM 1097 N VAL A 75 6.463 -2.902 -4.647 1.00 0.00 N ATOM 1098 CA VAL A 75 6.371 -2.341 -3.314 1.00 0.00 C ATOM 1099 C VAL A 75 7.739 -2.354 -2.639 1.00 0.00 C ATOM 1100 O VAL A 75 8.204 -1.333 -2.133 1.00 0.00 O ATOM 1101 CB VAL A 75 5.347 -3.125 -2.454 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.281 -2.566 -1.051 1.00 0.00 C ATOM 1103 CG2 VAL A 75 3.969 -3.093 -3.098 1.00 0.00 C ATOM 0 H VAL A 75 5.904 -3.745 -4.782 1.00 0.00 H new ATOM 0 HA VAL A 75 6.028 -1.310 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 75 5.681 -4.161 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.556 -3.133 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.262 -2.642 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.977 -1.520 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.265 -3.649 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.634 -2.060 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.019 -3.547 -4.088 1.00 0.00 H new ATOM 1113 N LYS A 76 8.386 -3.504 -2.687 1.00 0.00 N ATOM 1114 CA LYS A 76 9.698 -3.694 -2.102 1.00 0.00 C ATOM 1115 C LYS A 76 10.723 -2.757 -2.768 1.00 0.00 C ATOM 1116 O LYS A 76 11.507 -2.101 -2.085 1.00 0.00 O ATOM 1117 CB LYS A 76 10.109 -5.169 -2.257 1.00 0.00 C ATOM 1118 CG LYS A 76 11.442 -5.554 -1.638 1.00 0.00 C ATOM 1119 CD LYS A 76 11.788 -7.000 -1.970 1.00 0.00 C ATOM 1120 CE LYS A 76 13.048 -7.473 -1.256 1.00 0.00 C ATOM 1121 NZ LYS A 76 12.835 -7.645 0.199 1.00 0.00 N ATOM 0 H LYS A 76 8.011 -4.339 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 76 9.667 -3.446 -1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.331 -5.791 -1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.141 -5.407 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.226 -4.893 -2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.399 -5.424 -0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.953 -7.644 -1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.924 -7.100 -3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.375 -8.419 -1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.849 -6.753 -1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.626 -8.185 0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.783 -6.712 0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.946 -8.160 0.361 1.00 0.00 H new ATOM 1135 N ALA A 77 10.664 -2.667 -4.095 1.00 0.00 N ATOM 1136 CA ALA A 77 11.582 -1.826 -4.872 1.00 0.00 C ATOM 1137 C ALA A 77 11.356 -0.336 -4.591 1.00 0.00 C ATOM 1138 O ALA A 77 12.318 0.446 -4.520 1.00 0.00 O ATOM 1139 CB ALA A 77 11.430 -2.111 -6.354 1.00 0.00 C ATOM 0 H ALA A 77 9.983 -3.171 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 77 12.598 -2.072 -4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.117 -1.480 -6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.657 -3.159 -6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.406 -1.899 -6.662 1.00 0.00 H new ATOM 1145 N LYS A 78 10.099 0.051 -4.443 1.00 0.00 N ATOM 1146 CA LYS A 78 9.747 1.422 -4.116 1.00 0.00 C ATOM 1147 C LYS A 78 10.237 1.750 -2.717 1.00 0.00 C ATOM 1148 O LYS A 78 10.858 2.789 -2.496 1.00 0.00 O ATOM 1149 CB LYS A 78 8.220 1.634 -4.202 1.00 0.00 C ATOM 1150 CG LYS A 78 7.733 3.033 -3.814 1.00 0.00 C ATOM 1151 CD LYS A 78 8.195 4.142 -4.750 1.00 0.00 C ATOM 1152 CE LYS A 78 7.602 4.001 -6.144 1.00 0.00 C ATOM 1153 NZ LYS A 78 7.904 5.175 -6.978 1.00 0.00 N ATOM 0 H LYS A 78 9.299 -0.573 -4.546 1.00 0.00 H new ATOM 0 HA LYS A 78 10.224 2.086 -4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.897 1.424 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.731 0.904 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.643 3.030 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.079 3.258 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.912 5.109 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.283 4.129 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.997 3.104 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.522 3.873 -6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.748 4.939 -7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.281 5.963 -6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.896 5.454 -6.838 1.00 0.00 H new ATOM 1167 N LEU A 79 10.001 0.833 -1.794 1.00 0.00 N ATOM 1168 CA LEU A 79 10.353 1.027 -0.399 1.00 0.00 C ATOM 1169 C LEU A 79 11.850 1.247 -0.242 1.00 0.00 C ATOM 1170 O LEU A 79 12.283 2.208 0.387 1.00 0.00 O ATOM 1171 CB LEU A 79 9.924 -0.175 0.450 1.00 0.00 C ATOM 1172 CG LEU A 79 10.054 -0.053 1.982 1.00 0.00 C ATOM 1173 CD1 LEU A 79 9.229 1.088 2.581 1.00 0.00 C ATOM 1174 CD2 LEU A 79 9.708 -1.363 2.641 1.00 0.00 C ATOM 0 H LEU A 79 9.560 -0.066 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 79 9.823 1.914 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.882 -0.395 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.510 -1.037 0.131 1.00 0.00 H new ATOM 0 HG LEU A 79 11.096 0.195 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.371 1.111 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.554 2.036 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.174 0.931 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.804 -1.263 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.683 -1.636 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.387 -2.139 2.287 1.00 0.00 H new ATOM 1186 N VAL A 80 12.634 0.379 -0.849 1.00 0.00 N ATOM 1187 CA VAL A 80 14.076 0.456 -0.732 1.00 0.00 C ATOM 1188 C VAL A 80 14.667 1.701 -1.393 1.00 0.00 C ATOM 1189 O VAL A 80 15.672 2.231 -0.920 1.00 0.00 O ATOM 1190 CB VAL A 80 14.800 -0.830 -1.212 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.449 -2.010 -0.328 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.479 -1.135 -2.652 1.00 0.00 C ATOM 0 H VAL A 80 12.296 -0.389 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 80 14.261 0.544 0.339 1.00 0.00 H new ATOM 0 HB VAL A 80 15.873 -0.651 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.969 -2.899 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.752 -1.799 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.373 -2.181 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.002 -2.042 -2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.404 -1.281 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.798 -0.303 -3.280 1.00 0.00 H new ATOM 1202 N LYS A 81 14.031 2.203 -2.445 1.00 0.00 N ATOM 1203 CA LYS A 81 14.572 3.370 -3.119 1.00 0.00 C ATOM 1204 C LYS A 81 14.231 4.645 -2.369 1.00 0.00 C ATOM 1205 O LYS A 81 15.025 5.586 -2.356 1.00 0.00 O ATOM 1206 CB LYS A 81 14.132 3.474 -4.591 1.00 0.00 C ATOM 1207 CG LYS A 81 12.663 3.791 -4.814 1.00 0.00 C ATOM 1208 CD LYS A 81 12.322 3.865 -6.296 1.00 0.00 C ATOM 1209 CE LYS A 81 13.023 5.022 -7.018 1.00 0.00 C ATOM 1210 NZ LYS A 81 12.533 6.348 -6.576 1.00 0.00 N ATOM 0 H LYS A 81 13.166 1.832 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 81 15.655 3.243 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.730 4.245 -5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.362 2.532 -5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.049 3.027 -4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.419 4.740 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.599 2.925 -6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.243 3.974 -6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.097 4.958 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.870 4.921 -8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.001 7.093 -7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.505 6.404 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.748 6.479 -5.567 1.00 0.00 H new ATOM 1224 N ILE A 82 13.060 4.680 -1.732 1.00 0.00 N ATOM 1225 CA ILE A 82 12.661 5.870 -1.006 1.00 0.00 C ATOM 1226 C ILE A 82 13.257 5.905 0.386 1.00 0.00 C ATOM 1227 O ILE A 82 13.409 6.963 0.977 1.00 0.00 O ATOM 1228 CB ILE A 82 11.105 6.151 -1.023 1.00 0.00 C ATOM 1229 CG1 ILE A 82 10.237 5.019 -0.407 1.00 0.00 C ATOM 1230 CG2 ILE A 82 10.645 6.441 -2.439 1.00 0.00 C ATOM 1231 CD1 ILE A 82 10.213 4.955 1.109 1.00 0.00 C ATOM 0 H ILE A 82 12.389 3.912 -1.707 1.00 0.00 H new ATOM 0 HA ILE A 82 13.087 6.708 -1.557 1.00 0.00 H new ATOM 0 HB ILE A 82 10.956 7.021 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.214 5.137 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.598 4.063 -0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.572 6.633 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 82 11.171 7.316 -2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.861 5.582 -3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.577 4.129 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.225 4.800 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.819 5.890 1.506 1.00 0.00 H new ATOM 1243 N ALA A 83 13.596 4.744 0.907 1.00 0.00 N ATOM 1244 CA ALA A 83 14.252 4.674 2.194 1.00 0.00 C ATOM 1245 C ALA A 83 15.749 4.861 2.011 1.00 0.00 C ATOM 1246 O ALA A 83 16.439 5.398 2.889 1.00 0.00 O ATOM 1247 CB ALA A 83 13.959 3.350 2.884 1.00 0.00 C ATOM 0 H ALA A 83 13.429 3.842 0.462 1.00 0.00 H new ATOM 0 HA ALA A 83 13.865 5.471 2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.464 3.323 3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.884 3.248 3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.319 2.529 2.264 1.00 0.00 H new ATOM 1253 N GLY A 84 16.249 4.404 0.872 1.00 0.00 N ATOM 1254 CA GLY A 84 17.653 4.517 0.545 1.00 0.00 C ATOM 1255 C GLY A 84 18.443 3.385 1.147 1.00 0.00 C ATOM 1256 O GLY A 84 19.048 2.576 0.437 1.00 0.00 O ATOM 0 H GLY A 84 15.689 3.946 0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.778 4.517 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.039 5.469 0.910 1.00 0.00 H new ATOM 1260 N LEU A 85 18.403 3.318 2.441 1.00 0.00 N ATOM 1261 CA LEU A 85 19.080 2.322 3.224 1.00 0.00 C ATOM 1262 C LEU A 85 18.078 1.827 4.259 1.00 0.00 C ATOM 1263 O LEU A 85 16.863 1.856 3.992 1.00 0.00 O ATOM 1264 CB LEU A 85 20.303 2.958 3.913 1.00 0.00 C ATOM 1265 CG LEU A 85 21.397 3.521 2.990 1.00 0.00 C ATOM 1266 CD1 LEU A 85 22.483 4.190 3.809 1.00 0.00 C ATOM 1267 CD2 LEU A 85 21.999 2.421 2.120 1.00 0.00 C ATOM 0 H LEU A 85 17.876 3.982 3.008 1.00 0.00 H new ATOM 0 HA LEU A 85 19.435 1.495 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.951 3.765 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 85 20.757 2.209 4.562 1.00 0.00 H new ATOM 0 HG LEU A 85 20.938 4.262 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 85 23.251 4.584 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 85 22.051 5.006 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 85 22.929 3.461 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 85 22.770 2.846 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 85 22.440 1.654 2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 85 21.218 1.976 1.504 1.00 0.00 H new ATOM 1279 N GLU A 86 18.570 1.357 5.403 1.00 0.00 N ATOM 1280 CA GLU A 86 17.759 0.894 6.538 1.00 0.00 C ATOM 1281 C GLU A 86 17.037 -0.411 6.207 1.00 0.00 C ATOM 1282 O GLU A 86 17.456 -1.475 6.642 1.00 0.00 O ATOM 1283 CB GLU A 86 16.774 1.982 7.031 1.00 0.00 C ATOM 1284 CG GLU A 86 16.060 1.630 8.325 1.00 0.00 C ATOM 1285 CD GLU A 86 17.024 1.430 9.467 1.00 0.00 C ATOM 1286 OE1 GLU A 86 17.428 2.426 10.105 1.00 0.00 O ATOM 1287 OE2 GLU A 86 17.404 0.277 9.746 1.00 0.00 O ATOM 0 H GLU A 86 19.573 1.284 5.576 1.00 0.00 H new ATOM 0 HA GLU A 86 18.444 0.693 7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.320 2.915 7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.030 2.162 6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.357 2.424 8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.476 0.721 8.181 1.00 0.00 H new ATOM 1294 N HIS A 87 15.997 -0.334 5.398 1.00 0.00 N ATOM 1295 CA HIS A 87 15.253 -1.524 5.005 1.00 0.00 C ATOM 1296 C HIS A 87 16.039 -2.205 3.893 1.00 0.00 C ATOM 1297 O HIS A 87 15.970 -3.424 3.685 1.00 0.00 O ATOM 1298 CB HIS A 87 13.848 -1.137 4.511 1.00 0.00 C ATOM 1299 CG HIS A 87 12.892 -2.296 4.420 1.00 0.00 C ATOM 1300 ND1 HIS A 87 11.910 -2.550 5.351 1.00 0.00 N ATOM 1301 CD2 HIS A 87 12.777 -3.272 3.487 1.00 0.00 C ATOM 1302 CE1 HIS A 87 11.253 -3.641 4.973 1.00 0.00 C ATOM 1303 NE2 HIS A 87 11.737 -4.121 3.844 1.00 0.00 N ATOM 0 H HIS A 87 15.646 0.537 4.999 1.00 0.00 H new ATOM 0 HA HIS A 87 15.130 -2.197 5.853 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.431 -0.387 5.183 1.00 0.00 H new ATOM 0 HB3 HIS A 87 13.934 -0.672 3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 87 13.395 -3.374 2.607 1.00 0.00 H new ATOM 0 HE1 HIS A 87 10.430 -4.078 5.519 1.00 0.00 H new ATOM 0 HE2 HIS A 87 11.414 -4.945 3.337 1.00 0.00 H new ATOM 1311 N HIS A 88 16.794 -1.394 3.211 1.00 0.00 N ATOM 1312 CA HIS A 88 17.663 -1.808 2.157 1.00 0.00 C ATOM 1313 C HIS A 88 19.021 -2.062 2.771 1.00 0.00 C ATOM 1314 O HIS A 88 19.689 -1.088 3.149 1.00 0.00 O ATOM 1315 CB HIS A 88 17.727 -0.706 1.084 1.00 0.00 C ATOM 1316 CG HIS A 88 18.677 -0.963 -0.058 1.00 0.00 C ATOM 1317 ND1 HIS A 88 19.611 -0.052 -0.477 1.00 0.00 N ATOM 1318 CD2 HIS A 88 18.803 -2.031 -0.883 1.00 0.00 C ATOM 1319 CE1 HIS A 88 20.267 -0.561 -1.513 1.00 0.00 C ATOM 1320 NE2 HIS A 88 19.818 -1.771 -1.807 1.00 0.00 N ATOM 0 H HIS A 88 16.820 -0.389 3.383 1.00 0.00 H new ATOM 0 HA HIS A 88 17.304 -2.716 1.672 1.00 0.00 H new ATOM 0 HB2 HIS A 88 16.727 -0.563 0.676 1.00 0.00 H new ATOM 0 HB3 HIS A 88 18.011 0.229 1.566 1.00 0.00 H new ATOM 0 HD1 HIS A 88 19.775 0.865 -0.062 1.00 0.00 H new ATOM 0 HD2 HIS A 88 18.215 -2.935 -0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 88 21.060 -0.056 -2.044 1.00 0.00 H new TER 1328 HIS A 88